1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(COC2=C(C=C(C=C2)C(=O)C)OC)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4S/c1-4-25-21(16-8-6-5-7-9-16)23-24-22(25)30-14-18(27)13-29-19-11-10-17(15(2)26)12-20(19)28-3/h5-12,18,27H,4,13-14H2,1-3H3